REMARK  Name = BDB054092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.156   0.098   0.966  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.046  -0.013   0.145  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.204   0.223  -0.836  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.255  -0.477   2.046  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.045  -0.927   0.453  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        2.330  -0.541  -0.308  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        3.497  -1.380   0.029  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        3.129  -2.748   0.425  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.847  -3.249  -0.234  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.646  -2.376   0.132  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.518  -1.370  -1.036  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.171  -0.000  -1.310  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.185   0.412  -0.268  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        7.558   0.287  -0.524  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        8.496   0.666   0.438  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.073   1.171   1.665  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.712   1.296   1.933  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.772   0.919   0.971  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.293   0.936   0.336  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.260   1.510   1.396  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -2.513   2.439   2.382  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.401   3.501   3.037  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.843   3.036   3.160  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.455   2.736   1.793  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.434   2.265   0.753  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -2.524  -0.244  -1.851  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -2.989   0.044  -0.588  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -3.703  -0.591  -0.236  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -1.507   0.274  -2.309  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -3.336  -1.344  -2.581  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -3.346  -1.065  -4.082  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -5.395  -2.643  -2.359  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -4.698  -1.416  -1.997  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -5.238  -0.611  -2.320  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 9